Osaka University Graduate School of Frontier Biosciences
2015/04 - 2020/03
Informatics / High-performance computing /
Life sciences / Medical systems /
Informatics / Computational science /
Difference of binding modes among three ligands to a receptor mSin3B corresponding to their inhibitory activities
Tomonori Hayami, Narutoshi Kamiya, Kota Kasahara, Takeshi Kawabata, Jun-ichi Kurita, Yoshifumi Fukunishi, Yoshifumi Nishimura, Haruki Nakamura, Junichi Higo
Scientific Reports Vol. 11 No. 1 2021/12 Research paper (scientific journal)
Publisher: Springer Science and Business Media LLC
Free-energy landscape of molecular interactions between endothelin 1 and human endothelin type B receptor: fly-casting mechanism
Junichi Higo, Kota Kasahara, Mitsuhito Wada, Bhaskar Dasgupta, Narutoshi Kamiya, Tomonori Hayami, Ikuo Fukuda, Yoshifumi Fukunishi, Haruki Nakamura
Protein Engineering, Design and Selection Vol. 32 No. 7 p. 297-308 2019/12/31 Research paper (scientific journal)
Publisher: Oxford University Press (OUP)
Multidimensional virtual‐system coupled canonical molecular dynamics to compute free‐energy landscapes of peptide multimer assembly
Tomonori Hayami, Junichi Higo, Haruki Nakamura, Kota Kasahara
Journal of Computational Chemistry Vol. 40 No. 28 p. 2453-2463 2019/10/30 Research paper (scientific journal)
Publisher: Wiley
Molecular dynamics coupled with a virtual system for effective conformational sampling
Tomonori Hayami, Kota Kasahara, Haruki Nakamura, Junichi Higo
Journal of Computational Chemistry Vol. 39 No. 19 p. 1291-1299 2018/07/15 Research paper (scientific journal)
Publisher: Wiley
A novel algorithm for enhanced conformational sampling and its applications to compute free-energy landscapes of protein-protein and protein-ligand interactions
速水 智教
